tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate

C16H26N2O2 — CID 142063959

IUPACtert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
SMILESCN(C)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)17-14(12-18(4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyXIQMKFPVRBAWDI-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate (PubChem CID 142063959) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
PubChem CID142063959
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
SMILESCN(C)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)17-14(12-18(4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyXIQMKFPVRBAWDI-AWEZNQCLSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetic acid
CID 124523787
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
S-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] ethanethioate
CID 11077758
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate (CID 142063959) is tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate is CN(C)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate?
The InChIKey is XIQMKFPVRBAWDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)17-14(12-18(4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,19)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 142063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).